![2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile structure](/static/products/445/445465-05-4.png)
2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile
TL;DR: 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile (CAS 445465-05-4) is a chemical compound with molecular formula C12H8ClF2N3O and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-2,2-difluoro-1-(4-methoxyanilino)ethylidene]propanedinitrile
Also Known As: AB01334618-02, A2740/0116398, 2-[2-Chloro-2,2-difluoro-1-(4-methoxyanilino)ethylidene]malononitrile, 2-[2-Chloro-2,2-difluoro-1-(4-methoxyanilino)ethylidene]malononitrile #, 2-[2-chloro-2,2-difluoro-1-(4-methoxyanilino)ethylidene]propanedinitrile
| Molecular Formula | C12H8ClF2N3O |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0324 |
| Heavy Atoms | 19 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 445465-05-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=C(C#N)C#N)C(F)(F)Cl |
| InChIKey | VTNNKBISQAJCFJ-UHFFFAOYSA-N |
Product Overview
2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile (CAS 445465-05-4), with molecular formula C12H8ClF2N3O and molecular weight 283.03 g/mol. IUPAC: 2-[2-chloro-2,2-difluoro-1-(4-methoxyanilino)ethylidene]propanedinitrile.
Chemical Property Profile of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile
Property Insights of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile
The XLogP value of 3.4 indicates that 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile. Following Lipinski's Rule of Five, 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile?
The CAS number of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile is 445465-05-4.
What is the molecular formula of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile?
The molecular formula of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile is C12H8ClF2N3O.
What is the molecular weight of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile?
The molecular weight of 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile is 283.03 g/mol.
Where can I buy 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile?
You can request a quote for 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Chloro-2,2-difluoro-1-(4-methoxy-phenylamino)-ethylidene]-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.